trans-(1R,2R)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine

C8H14F3N — CID 96628449

IUPACtrans-(1R,2R)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESN[C@@H]1CCCC[C@@H]1CC(F)(F)F
InChIInChI=1S/C8H14F3N/c9-8(10,11)5-6-3-1-2-4-7(6)12/h6-7H,1-5,12H2/t6-,7-/m1/s1
InChIKeyWSUQSKKRQJAQFI-RNFRBKRXSA-N
MW181.20 g/mol
LogP2.46
Rot. Bonds1

About trans-(1R,2R)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine

trans-(1R,2R)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine (PubChem CID 96628449) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine
PubChem CID96628449
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Nametrans-(1R,2R)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESN[C@@H]1CCCC[C@@H]1CC(F)(F)F
InChIInChI=1S/C8H14F3N/c9-8(10,11)5-6-3-1-2-4-7(6)12/h6-7H,1-5,12H2/t6-,7-/m1/s1
InChIKeyWSUQSKKRQJAQFI-RNFRBKRXSA-N
XLogP2.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine (CID 96628449) is trans-(1R,2R)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine is N[C@@H]1CCCC[C@@H]1CC(F)(F)F.
What is the InChIKey of trans-(1R,2R)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The InChIKey is WSUQSKKRQJAQFI-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H14F3N/c9-8(10,11)5-6-3-1-2-4-7(6)12/h6-7H,1-5,12H2/t6-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
trans-(1R,2R)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine has a molecular weight of 181.20 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine is sourced from PubChem (CID 96628449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).